Kibalaurifoline
AlkaPlorer ID: AK050193
Synonym: None
IUPAC Name: N-[(1R,2S,5S,6S,9R,12S,13R,16R)-6,13-dimethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-17,19-dien-16-yl]-N-methylacetamide
Structure
SMILES: CC(=O)N(C)[C@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@H](C)OC(=O)[C@@]54CC[C@@H]3[C@@]2(C)CC1
InChI: InChI=1S/C24H33NO3/c1-14-19-7-8-21-18-6-5-16-13-17(25(4)15(2)26)9-11-23(16,3)20(18)10-12-24(19,21)22(27)28-14/h5-6,13-14,17-21H,7-12H2,1-4H3/t14-,17+,18+,19+,20-,21-,23-,24-/m0/s1
InChIKey: CLPGEJYIOBNCEC-YIIRXIKKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibatalia laurifolia | Kibatalia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 383.53200000000027
TPSA？: 46.61
MolLogP？: 4.113700000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 21000.0 | nM | 10.1021/np200165t |